Cas no 980-80-3 (Benzene, hexamethyl-, compd. with 1,3,5-trinitrobenzene (1:1))
980-80-3 structure
Product Name:Benzene, hexamethyl-, compd. with 1,3,5-trinitrobenzene (1:1)
CAS No:980-80-3
MF:C18H21N3O6
MW:375.375844717026
CID:750747
PubChem ID:71423345
Update Time:2025-04-19
Benzene, hexamethyl-, compd. with 1,3,5-trinitrobenzene (1:1) Chemical and Physical Properties
Names and Identifiers
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- Benzene, hexamethyl-, compd. with 1,3,5-trinitrobenzene (1:1)
- 1,2,3,4,5,6-hexamethylbenzene,1,3,5-trinitrobenzene
- 980-80-3
- DTXSID60842206
- Hexamethylbenzene--1,3,5-trinitrobenzene (1/1)
-
- Inchi： 1S/C12H18.C6H3N3O6/c1-7-8(2)10(4)12(6)11(5)9(7)3;10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-6H3;1-3H
- InChI Key： NIRPYJRPJZDSMJ-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=C(C=C(C=1)[N+](=O)[O-])[N+](=O)[O-])=O.C1(C)C(C)=C(C)C(C)=C(C)C=1C
Computed Properties
- Exact Mass: 375.14303540g/mol
- Monoisotopic Mass: 375.14303540g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 27
- Rotatable Bond Count: 0
- Complexity: 321
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 138?2
Benzene, hexamethyl-, compd. with 1,3,5-trinitrobenzene (1:1) Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
980-80-3 (Benzene, hexamethyl-, compd. with 1,3,5-trinitrobenzene (1:1)) Related Products
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